4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid

C14H25F3O3Si — CID 142764539

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3O3Si/c1-12(2,3)21(4,5)20-10-6-8-13(9-7-10,11(18)19)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,19)
InChIKeyXFAISZXRHWDKMO-UHFFFAOYSA-N
MW326.43 g/mol
LogP4.58
Rot. Bonds3

About 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid

4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 142764539) has the molecular formula C14H25F3O3Si and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID142764539
Molecular FormulaC14H25F3O3Si
Molecular Weight326.43 g/mol
Exact Mass326.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3O3Si/c1-12(2,3)21(4,5)20-10-6-8-13(9-7-10,11(18)19)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,19)
InChIKeyXFAISZXRHWDKMO-UHFFFAOYSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 142764538
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
Ethyl 1-(trifluoromethyl)-4-trimethylsilyloxycyclohexane-1-carboxylate
CID 175510042
tert-Butyldimethylsilyl cis-4-hydroxycyclohexanecarboxylate
CID 91697228
1-(Difluoromethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 165631816
1-(1,1-Difluoroethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 165834614
4-[(tert-Butyldimethylsilyl)oxy]cyclohexanecarboxylic Acid
CID 57960710
1-Methyl-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylic acid
CID 58512439
4-[Tert-butyl(dimethyl)silyl]oxy-1-ethylcyclohexane-1-carboxylic acid
CID 66741822
4-(Tert-butyl-dimethyl-silanyloxy)-1-methyl-cyclohexanecarboxylic acid
CID 66756619
4-[Tert-butyl(dimethyl)silyl]oxy-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 67087711
Methyl 4-[(tert-butyldimethylsilyl)oxy]-1-methylcyclohexane-1-carboxylate
CID 86695195

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 142764539) is 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)(C(F)(F)F)CC1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is XFAISZXRHWDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O3Si/c1-12(2,3)21(4,5)20-10-6-8-13(9-7-10,11(18)19)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 326.43 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142764539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).